COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132134
Chemical Name: 3-({[(5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CSCc1ccc(cc1)Cl

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Molecular Weight: 477.01
Empirical Formula: C21H21ClN4O3S2

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 5.532
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 147
Number of rings: 3

     

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